| CAS Number | 1540220-96-9 |
| Catalog Number | AG01C7CM(AGN-PC-0WCJKI) |
| Chemical Name | Methyl 1-acetylcyclobutane-1-carboxylate |
| IUPAC Name | methyl 1-acetylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C8H12O3/c1-6(9)8(4-3-5-8)7(10)11-2/h3-5H2,1-2H3 |
| InChI Key | YWCHBIPBDZGWES-UHFFFAOYSA-N |
| MDL Number | MFCD21950408 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | COC(C1(C(C)=O)CCC1)=O |
| Synonyms | Methyl 1-acetylcyclobutane-1-carboxylate,
1540220-96-9,
ZINC86501938,
AKOS018115626,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number